AG00DAFX

50508-60-6 | 2-Amino-3-o-chlorobenzoyl-5-ethylthiophene

AG00DAFX

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CAS Number	50508-60-6
Catalog Number	AG00DAFX(AGN-PC-00L8E8)
Chemical Name	2-Amino-3-o-chlorobenzoyl-5-ethylthiophene
IUPAC Name	(2-amino-5-ethylthiophen-3-yl)-(2-chlorophenyl)methanone
InChI	InChI=1S/C13H12ClNOS/c1-2-8-7-10(13(15)17-8)12(16)9-5-3-4-6-11(9)14/h3-7H,2,15H2,1H3
InChI Key	RFCCZAHPNNJKKR-UHFFFAOYSA-N
MDL Number	MFCD04107940
Molecular Formula	C13H12ClNOS
Molecular Weight	265.7585
SMILES	CCC1=CC(C(=O)C2=C(Cl)C=CC=C2)=C(N)S1
Synonyms	50508-60-6, (2-amino-5-ethylthiophen-3-yl)(2-chlorophenyl)methanone, 2-Amino-3-o-chlorobenzoyl-5-ethylthiophene, 2-AMINO-3-(2-CHLOROBENZOYL)-5-ETHYLTHIOPHENE, (2-Amino-5-ethylthiophen-3-yl)-(2-chlorophenyl)methanone, AK-89356, SCHEMBL9039352, CTK6D2939, KS-00000KLR, DTXSID90523879, RFCCZAHPNNJKKR-UHFFFAOYSA-N, BCP24127, ZINC6555731, ANW-58074, MFCD04107940, AKOS015891972, AC-24555, AJ-56361, DS-18597, AX8033843, TC-146819, CS-0061451, Z5530, 2-amino-3-(o-chlorobenzoyl)-5-ethylthiophene, 3-(2-chlorobenzoyl)-5-ethylthiophen-2-amine, I02-2014, (2-Amino-5-ethyl-3-thienyl)(2-chlorophenyl) ketone, (2-amino-5-ethyl-thiophen-3-yl)-(2-chloro-phenyl)-methanone, C13H12ClNOS, CS-T-02180, A7491,

Complexity	287
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.033g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	265.755g/mol
Monoisotopic Mass	265.033g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	71.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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